ethyl 2-[3-(methanesulfonamido)phenoxy]acetate

C11H15NO5S — CID 60749083

IUPACethyl 2-[3-(methanesulfonamido)phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C11H15NO5S/c1-3-16-11(13)8-17-10-6-4-5-9(7-10)12-18(2,14)15/h4-7,12H,3,8H2,1-2H3
InChIKeyZOSGPFKSNLJQRY-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.00
Rot. Bonds6

About ethyl 2-[3-(methanesulfonamido)phenoxy]acetate

ethyl 2-[3-(methanesulfonamido)phenoxy]acetate (PubChem CID 60749083) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is ethyl 2-[3-(methanesulfonamido)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(methanesulfonamido)phenoxy]acetate
PubChem CID60749083
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Nameethyl 2-[3-(methanesulfonamido)phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C11H15NO5S/c1-3-16-11(13)8-17-10-6-4-5-9(7-10)12-18(2,14)15/h4-7,12H,3,8H2,1-2H3
InChIKeyZOSGPFKSNLJQRY-UHFFFAOYSA-N
XLogP1.00
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[3-(methanesulfonamido)phenoxy]ethanimidate;hydrochloride
CID 69351950
ethyl 2-[3-[(3-fluorophenyl)sulfonylamino]phenoxy]acetate
CID 39340829
ethyl 2-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]acetate
CID 46547637
[3-(methanesulfonamido)phenyl] propanoate
CID 154228160
ethyl 2-[3-(but-2-ynoylamino)phenoxy]acetate
CID 107991028
ethyl 2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetate
CID 78917130
ethyl 2-[3-(tert-butylcarbamoylamino)phenoxy]acetate
CID 60970804
ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate
CID 39269783
methyl 2-[3-(methylsulfonylmethylsulfonylamino)phenoxy]acetate
CID 82833635
ethyl 2-[3-(methylaminomethyl)phenoxy]acetate
CID 60882222
ethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate
CID 39269822
2-[3-(sulfamoylamino)phenoxy]acetamide
CID 112573308

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(methanesulfonamido)phenoxy]acetate?
The IUPAC name of ethyl 2-[3-(methanesulfonamido)phenoxy]acetate (CID 60749083) is ethyl 2-[3-(methanesulfonamido)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-(methanesulfonamido)phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-(methanesulfonamido)phenoxy]acetate is CCOC(=O)COc1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of ethyl 2-[3-(methanesulfonamido)phenoxy]acetate?
The InChIKey is ZOSGPFKSNLJQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-3-16-11(13)8-17-10-6-4-5-9(7-10)12-18(2,14)15/h4-7,12H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[3-(methanesulfonamido)phenoxy]acetate?
ethyl 2-[3-(methanesulfonamido)phenoxy]acetate has a molecular weight of 273.31 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(methanesulfonamido)phenoxy]acetate is sourced from PubChem (CID 60749083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).